Phenanthro[9,10-b]triphenylene, 9,18-bis[4-(trifluoromethyl)phenyl]-, (.+-.)-

SpectraBase Compound ID	8zVJnznjfw7
InChI	InChI=1S/C44H24F6/c45-43(46,47)27-21-17-25(18-22-27)37-39-33-13-5-1-9-29(33)30-10-2-6-14-34(30)40(39)38(26-19-23-28(24-20-26)44(48,49)50)42-36-16-8-4-12-32(36)31-11-3-7-15-35(31)41(37)42/h1-24H
InChIKey	HWGOAYVDDBLENG-UHFFFAOYSA-N Google Search
Mol Weight	666.7 g/mol
Molecular Formula	C44H24F6
Exact Mass	666.17822 g/mol

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SpectraBase Spectrum ID	35d9oRZDAOe
Name	Phenanthro[9,10-B]triphenylene, 9,18-bis[4-(trifluoromethyl)phenyl]-, (.+-.)-
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	666.178219751 u
Formula	C44H24F6
InChI	InChI=1S/C44H24F6/c45-43(46,47)27-21-17-25(18-22-27)37-39-33-13-5-1-9-29(33)30-10-2-6-14-34(30)40(39)38(26-19-23-28(24-20-26)44(48,49)50)42-36-16-8-4-12-32(36)31-11-3-7-15-35(31)41(37)42/h1-24H
InChIKey	HWGOAYVDDBLENG-UHFFFAOYSA-N
Molecular Weight	666.666 g/mol
SMILES	C1=2C(C(C=3C=CC(C(F)(F)F)=CC3)=C3C(=C1C=1C=CC(C(F)(F)F)=CC1)C=1C(C4=CC=CC=C34)=CC=CC1)=C1C=CC=CC1=C1C2C=CC=C1